CID 624942

7-chloro-2-methoxy-5-phenyl-3h-1,4-benzodiazepine

Structural Information

Molecular Formula
C16H13ClN2O
SMILES
COC1=NC2=C(C=C(C=C2)Cl)C(=NC1)C3=CC=CC=C3
InChI
InChI=1S/C16H13ClN2O/c1-20-15-10-18-16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-15/h2-9H,10H2,1H3
InChIKey
FHGUFGWOUJMMFE-UHFFFAOYSA-N
Compound name
7-chloro-2-methoxy-5-phenyl-3H-1,4-benzodiazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

284.07166 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.07894 162.0
[M+Na]+ 307.06088 172.4
[M-H]- 283.06438 168.1
[M+NH4]+ 302.10548 176.6
[M+K]+ 323.03482 170.7
[M+H-H2O]+ 267.06892 153.5
[M+HCOO]- 329.06986 178.2
[M+CH3COO]- 343.08551 173.8
[M+Na-2H]- 305.04633 169.1
[M]+ 284.07111 162.9
[M]- 284.07221 162.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe